Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
TL;DR: Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide (CAS 724740-37-8) is a chemical compound with molecular formula C17H21N3S and molecular weight 299.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-4-propan-2-ylsulfanyl-6-pyrrolidin-1-ylpyrimidine
Also Known As: isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide, 2-phenyl-4-propan-2-ylsulfanyl-6-pyrrolidin-1-ylpyrimidine, AQ-750/42237975, 4-(isopropylthio)-2-phenyl-6-pyrrolidino-pyrimidine, 2-phenyl-4-(propan-2-ylthio)-6-(1-pyrrolidinyl)pyrimidine
| Molecular Formula | C17H21N3S |
|---|---|
| Molecular Weight | 299.15 g/mol |
| LogP | 4.2443 |
| Topological Polar Surface Area | 29.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 299.14563 |
| Heavy Atoms | 21 |
| Complexity | 592.23914 |
Chemical Identifiers
| CAS Number | 724740-37-8 |
|---|---|
| SMILES | CC(C)SC1=NC(=NC(=C1)N2CCCC2)C3=CC=CC=C3 |
Product Overview
Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide (CAS 724740-37-8), with molecular formula C17H21N3S and molecular weight 299.15 g/mol. IUPAC: 2-phenyl-4-propan-2-ylsulfanyl-6-pyrrolidin-1-ylpyrimidine.
Chemical Property Profile of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
Property Insights of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide
The XLogP value of 4.2443 indicates that Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.02 Ų, Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The CAS number of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is 724740-37-8.
What is the molecular formula of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The molecular formula of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is C17H21N3S.
What is the molecular weight of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
The molecular weight of Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide is 299.15 g/mol.
Where can I buy Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
You can request a quote for Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 2-phenyl-6-(1-pyrrolidinyl)-4-pyrimidinyl sulfide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.